Spektraris NMR
Randiasaponin II
Common Name: Randiasaponin II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O14/c1-20-9-14-41(35(49)50)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(37(3,19-43)24(36)10-13-39(25,38)5)54-33-30(48)31(22(44)18-52-33)55-34-29(47)28(46)27(45)23(17-42)53-34/h7,20,22-34,42-48,51H,8-19H2,1-6H3,(H,49,50)/t20-,22-,23-,24-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1
InChIKey: InChIKey=MJDOOZONFGAIJA-WCTSDNPFSA-N
Formula: C41H66O14
Molecular Weight: 782.955931
Exact Mass: 782.445257
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sahpaz, S., Gupta, M.P., Hostettmann, K. Phytochemistry (2000) 54, 77-84
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.51 |
| 2 (CH2) | 26.32 |
| 3 (CH) | 83.64 |
| 4 (C) | 43.89 |
| 5 (CH) | 48.35 |
| 6 (CH2) | 19.02 |
| 7 (CH2) | 33.7 |
| 8 (C) | 41.07 |
| 9 (CH) | 48.58 |
| 10 (C) | 37.71 |
| 11 (CH2) | 24.71 |
| 12 (CH) | 129.4 |
| 13 (C) | 140.09 |
| 14 (C) | 42.68 |
| 15 (CH2) | 29.64 |
| 16 (CH2) | 26.67 |
| 17 (C) | 49.46 |
| 18 (CH) | 55.14 |
| 19 (C) | 73.64 |
| 20 (CH) | 43.09 |
| 21 (CH2) | 27.32 |
| 22 (CH2) | 39.06 |
| 23 (CH2) | 65.26 |
| 24 (CH3) | 13.34 |
| 25 (CH3) | 16.42 |
| 26 (CH3) | 17.59 |
| 27 (CH3) | 24.88 |
| 28 (C) | 180.81 |
| 29 (CH3) | 27.1 |
| 30 (CH3) | 16.61 |
| 1' (CH) | 106.14 |
| 2' (CH) | 72.12 |
| 3' (CH) | 84.27 |
| 4' (CH) | 69.56 |
| 5' (CH2) | 66.87 |
| 1'' (CH) | 105.52 |
| 2'' (CH) | 75.33 |
| 3'' (CH) | 77.94 |
| 4'' (CH) | 71.17 |
| 5'' (CH) | 77.69 |
| 6'' (CH2) | 62.35 |
